N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine

C15H25N3 — CID 81248504

IUPACN-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cnccc1N(C)C1CCCC1
InChIInChI=1S/C15H25N3/c1-12(2)17-11-13-10-16-9-8-15(13)18(3)14-6-4-5-7-14/h8-10,12,14,17H,4-7,11H2,1-3H3
InChIKeyITSJNBSOOSBIAV-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.96
Rot. Bonds5

About N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine

N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 81248504) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID81248504
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cnccc1N(C)C1CCCC1
InChIInChI=1S/C15H25N3/c1-12(2)17-11-13-10-16-9-8-15(13)18(3)14-6-4-5-7-14/h8-10,12,14,17H,4-7,11H2,1-3H3
InChIKeyITSJNBSOOSBIAV-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
N-cycloheptyl-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81247152
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81249487
3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine
CID 81249277
N-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077
N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249376
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073614
3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine
CID 81238671
N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249525
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247407
N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81253260

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 81248504) is N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine is CC(C)NCc1cnccc1N(C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is ITSJNBSOOSBIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)17-11-13-10-16-9-8-15(13)18(3)14-6-4-5-7-14/h8-10,12,14,17H,4-7,11H2,1-3H3.
What are the key properties of N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81248504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).